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BDBM50364720 CHEMBL1951659

SMILES: CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12

InChI Key: InChIKey=FKCGAOJXLFANNO-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50364720   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor


(RAT)
BDBM50364720
PNG
(CHEMBL1951659)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3OS/c1-12-4-6-13(7-5-12)22-11-9-14-16-15(21(2)3)8-10-20-18(16)24-17(14)19(22)23/h4-11H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50364720
PNG
(CHEMBL1951659)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3OS/c1-12-4-6-13(7-5-12)22-11-9-14-16-15(21(2)3)8-10-20-18(16)24-17(14)19(22)23/h4-11H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50364720
PNG
(CHEMBL1951659)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3OS/c1-12-4-6-13(7-5-12)22-11-9-14-16-15(21(2)3)8-10-20-18(16)24-17(14)19(22)23/h4-11H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human metabotropic glutamate receptor 5


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair